SpectraBase Compound ID | IOQkMBtG808 |
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InChI | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
Mol Weight | 116.12 g/mol |
Molecular Formula | C5H8O3 |
Exact Mass | 116.047344 g/mol |
SpectraBase Spectrum ID | 1cdg46I92UE |
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Name | Acetoacetic acid, methyl ester |
CAS Registry Number | 105-45-3 |
Comments | KETO FORM |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C5H8O3 |
InChI | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
Instrument Name | Varian CFT-20 |
Literature Reference | R. Matusch, Angew. Chem. 87, 283 (1975). |
NMR Standard | TMS |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | Benzene-D6 |